7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

C12H12FN3O2 — CID 118661369

IUPAC7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(N3CCC(F)C3)ccn12
InChIInChI=1S/C12H12FN3O2/c13-8-1-3-15(7-8)9-2-4-16-10(12(17)18)6-14-11(16)5-9/h2,4-6,8H,1,3,7H2,(H,17,18)
InChIKeyBELQLHRQFNVKGB-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.58
Rot. Bonds2

About 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid

7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 118661369) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID118661369
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(N3CCC(F)C3)ccn12
InChIInChI=1S/C12H12FN3O2/c13-8-1-3-15(7-8)9-2-4-16-10(12(17)18)6-14-11(16)5-9/h2,4-6,8H,1,3,7H2,(H,17,18)
InChIKeyBELQLHRQFNVKGB-UHFFFAOYSA-N
XLogP1.58
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 118661369) is 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2cc(N3CCC(F)C3)ccn12.
What is the InChIKey of 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BELQLHRQFNVKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-8-1-3-15(7-8)9-2-4-16-10(12(17)18)6-14-11(16)5-9/h2,4-6,8H,1,3,7H2,(H,17,18).
What are the key properties of 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid?
7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118661369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).